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growth rate can now be set for ITPNet CI #152: Commit 1cbea7c pushed by thorben-frank
April 5, 2024 10:56 2m 24s v1.0
v1.0
April 5, 2024 10:56 2m 24s
first support for tf.data.Dataset for large scale training CI #151: Commit 0f75e06 pushed by thorben-frank
April 3, 2024 08:08 1m 41s v1.0
v1.0
April 3, 2024 08:08 1m 41s
add charge and spin to ase data loader CI #150: Commit 885e71e pushed by thorben-frank
April 1, 2024 10:24 7m 18s v1.0
v1.0
April 1, 2024 10:24 7m 18s
add data loader for data in hdf5 CI #149: Commit 012caf3 pushed by thorben-frank
March 29, 2024 16:07 6m 32s v1.0
v1.0
March 29, 2024 16:07 6m 32s
TFRecord Data Loader CI #148: Commit eac5565 pushed by thorben-frank
March 29, 2024 09:11 6m 36s v1.0
v1.0
March 29, 2024 09:11 6m 36s
Merge pull request #27 from thorben-frank/charge-spin-embedding CI #147: Commit a114235 pushed by thorben-frank
March 26, 2024 13:46 6m 39s v1.0
v1.0
March 26, 2024 13:46 6m 39s
Charge spin embedding CI #146: Pull request #27 opened by thorben-frank
March 26, 2024 13:46 7m 6s charge-spin-embedding
charge-spin-embedding
March 26, 2024 13:46 7m 6s
aux properties in ASECalculator CI #145: Commit 965932a pushed by thorben-frank
March 18, 2024 16:24 6m 39s v1.0
v1.0
March 18, 2024 16:24 6m 39s
replace python plus by e3x.nn.add CI #144: Commit dd5f291 pushed by thorben-frank
March 18, 2024 12:37 6m 41s v1.0
v1.0
March 18, 2024 12:37 6m 41s
evaluation and MD interface for ITPNet CI #143: Commit e146375 pushed by thorben-frank
March 18, 2024 10:50 6m 6s v1.0
v1.0
March 18, 2024 10:50 6m 6s
slightly change ITP defaults CI #142: Commit 4604acb pushed by thorben-frank
March 18, 2024 10:23 6m 12s v1.0
v1.0
March 18, 2024 10:23 6m 12s
Merge pull request #26 from thorben-frank/v1.0-itp-net CI #141: Commit e867144 pushed by thorben-frank
March 15, 2024 15:03 6m 39s v1.0
v1.0
March 15, 2024 15:03 6m 39s
add ITPNet CI #140: Pull request #26 opened by thorben-frank
March 15, 2024 15:03 6m 20s v1.0-itp-net
v1.0-itp-net
March 15, 2024 15:03 6m 20s
re-work loss function such that differently sized structures are take… CI #139: Commit a03ec63 pushed by thorben-frank
February 26, 2024 15:50 5m 46s v1.0
v1.0
February 26, 2024 15:50 5m 46s
bugfix strategy determination CI #138: Commit 14a7008 pushed by thorben-frank
February 2, 2024 14:45 5m 46s v1.0
v1.0
February 2, 2024 14:45 5m 46s
add finetuning strategies CI #137: Commit 4108553 pushed by thorben-frank
February 2, 2024 14:42 5m 40s v1.0
v1.0
February 2, 2024 14:42 5m 40s
save finetuning info to file CI #136: Commit 5ebedbe pushed by thorben-frank
January 31, 2024 18:07 5m 51s v1.0
v1.0
January 31, 2024 18:07 5m 51s
Merge pull request #24 from thorben-frank/v1.0-finetuning CI #135: Commit 1402a43 pushed by thorben-frank
January 31, 2024 17:29 5m 41s v1.0
v1.0
January 31, 2024 17:29 5m 41s
first draft for finetuning logic CI #134: Pull request #24 opened by thorben-frank
January 31, 2024 17:29 5m 52s v1.0-finetuning
v1.0-finetuning
January 31, 2024 17:29 5m 52s
allow for writing metrics to file CI #133: Commit abe2037 pushed by thorben-frank
January 30, 2024 10:47 5m 40s v1.0
v1.0
January 30, 2024 10:47 5m 40s
metrics can be written to data file in evaluate_so3krates_sparse_on CI #132: Commit 8f4d8c8 pushed by thorben-frank
January 30, 2024 10:36 6m 9s v1.0
v1.0
January 30, 2024 10:36 6m 9s
add evluate_on for evaluation on different data set and only load tes… CI #131: Commit 5690a82 pushed by thorben-frank
January 25, 2024 11:33 8m 46s v1.0
v1.0
January 25, 2024 11:33 8m 46s
geometry embed must not depend on position for shape and dtype determ… CI #130: Commit 406842a pushed by thorben-frank
January 24, 2024 17:52 5m 56s v1.0
v1.0
January 24, 2024 17:52 5m 56s
add spice to evaluation routine CI #129: Commit f366b8e pushed by thorben-frank
January 24, 2024 10:11 5m 48s v1.0
v1.0
January 24, 2024 10:11 5m 48s
update yaml CI #128: Commit ce40fa0 pushed by thorben-frank
January 23, 2024 12:45 6m 39s v1.0
v1.0
January 23, 2024 12:45 6m 39s